General Information of the Compound
| Compound ID |
CP0965642
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| Compound Name |
(S)-N-((S)-1-(5-(7-methoxy-2-(pyrrolidin-1-yl)quinolin-6-yl)-1H-imidazol-2-yl)-7-oxononyl)-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
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| Formula |
C35H48N6O3
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| Molecular Weight |
600.808
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccc(N4CCCC4)nc3cc2OC)[nH]1
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| InChI |
InChI=1S/C35H48N6O3/c1-4-25(42)10-6-5-7-11-28(39-34(43)27-22-35(27)14-18-40(2)19-15-35)33-36-23-30(38-33)26-20-24-12-13-32(41-16-8-9-17-41)37-29(24)21-31(26)44-3/h12-13,20-21,23,27-28H,4-11,14-19,22H2,1-3H3,(H,36,38)(H,39,43)/t27-,28+/m1/s1
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| InChIKey |
LEGQHRJRAAFESX-IZLXSDGUSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3